SCHEMBL6718445

SCHEMBL6718445

O=S(=O)(C=Cc1ccccc1)Nc1ccc(C2=NCCc3ccc(F)cc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
PKM P14618 1/20 0.57
PTGES2 Q9H7Z7 5/20 0.46
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXRA P19793 1/20 0.40
TYMS P04818 1/20 0.38
MAPK10 P53779 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6718440 1.00 KMT2A (0.57) KMT2APKMPTGES2ALDH1A1LMNA
SCHEMBL6718852 0.92 KMT2A (0.57) KMT2APKMPTGES2ALDH1A1LMNA
SCHEMBL6718856 0.92 KMT2A (0.57) KMT2APKMPTGES2ALDH1A1LMNA
SCHEMBL6716640 0.89 KMT2A (0.46) KMT2APKMPTGES2ALDH1A1LMNA
SCHEMBL6716645 0.89 KMT2A (0.46) KMT2APKMPTGES2ALDH1A1LMNA
SCHEMBL6720539 0.82 KMT2A (0.49) KMT2APKMPTGES2ALDH1A1LMNA
SCHEMBL6720541 0.82 KMT2A (0.49) KMT2APKMPTGES2ALDH1A1LMNA
SCHEMBL6720406 0.82 KMT2A (0.46) KMT2APKMPTGES2ALDH1A1LMNA
SCHEMBL6720407 0.82 KMT2A (0.46) KMT2APKMPTGES2ALDH1A1LMNA
SCHEMBL6724942 0.80 ALDH1A1 (0.48) KMT2APKMALDH1A1LMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A KMT2A 2851/4885PKM 1869/4885PTGES2 384/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.